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Simple but Efficient Method for Inhibiting Sintering and Aggregation of Catalytic Pt Nanoclusters on Metal‐Oxide Supports
Author(s) -
Koizumi Kenichi,
Nobusada Katsuyuki,
Boero Mauro
Publication year - 2017
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201604188
Subject(s) - nanoclusters , oxide , metal , catalysis , materials science , transition metal , molecular dynamics , sintering , molecule , chemical physics , chemical engineering , inorganic chemistry , nanotechnology , chemistry , computational chemistry , metallurgy , organic chemistry , engineering
A simple and efficient method to inhibit aggregation of Pt clusters supported on metal oxide was developed, preserving the accessible clusters surface where catalytically active sites are located even at relatively high temperatures up to 700 K. The key idea was the inclusion of transition metal atoms such as Ni into the Pt clusters, thus anchoring the clusters through formation of strong chemical bonds with oxygen atoms of the metal‐oxide support. To elucidate the efficiency of the method, first‐principles molecular dynamics enhanced with free‐energy sampling methods were used. These virtual experiments showed how doped Ni atoms, having a stronger affinity to O than Pt, anchor the Pt clusters tightly to the metal‐oxide supports and inhibit their tendency to aggregate on the support.